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MMsINC code: MMs01316954

Type: Ionized
Formula: C₁₄H₁₀Cl₂NO₄S-

SMILES:

Clc1ccc(cc1S(=O)(=O)N(C)c1ccc(Cl)cc1)C(=O)[O-]

InChI:

InChI=1/C14H11Cl2NO4S/c1-17(11-5-3-10(15)4-6-11)22(20,21)13-8-9(14(18)19)2-7-12(13)16/h2-8H,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3646 kcal/mol

Physical Properties
Molecular Weight: 359.209 g/mol	logS: -4.82073	SlogP: 2.182	Reactive groups: 0

Topological Properties
Globularity: 0.224362	Sterimol/B1: 2.45823	Sterimol/B2: 2.86664	Sterimol/B3: 5.24921
Sterimol/B4: 8.31249	Sterimol/L: 11.7838

Surface and Volume Properties
Accessible surface: 498.06	Positive charged surface: 187.944	Negative charged surface: 310.116	Volume: 286
Hydrophobic surface: 363.87	Hydrophilic surface: 134.19

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs01316953
ENAMINE-ZINC03227277